Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 20/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.59 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.56 |
| ▸ | HTR1A | P08908 | 1/20 | 0.56 |
| ▸ | HTR2A | P28223 | 1/20 | 0.56 |
| ▸ | HTR2C | P28335 | 1/20 | 0.56 |
| ▸ | HRH1 | P35367 | 1/20 | 0.56 |
| ▸ | HTR2B | P41595 | 1/20 | 0.56 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.56 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.56 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.56 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL6229464 | 1.00 | TACR1 (0.59) | TACR1CYP2D6KCNH2HTR1AHTR2A | |
| Hydrochloric Acid SCHEMBL6228510 | 0.99 | TACR1 (0.58) | TACR1CYP2D6KCNH2HTR1AHTR2A | |
| Hydrochloric Acid SCHEMBL8592303 | 0.99 | TACR1 (0.58) | TACR1CYP2D6KCNH2HTR1AHTR2A | |
| SCHEMBL6228277 | 0.87 | TACR1 (0.62) | TACR1CYP2D6 | |
| SCHEMBL6228274 | 0.87 | TACR1 (0.62) | TACR1CYP2D6 | |
| SCHEMBL6073830 | 0.86 | TACR1 (0.61) | TACR1CYP2D6 | |
| SCHEMBL6073826 | 0.86 | TACR1 (0.61) | TACR1CYP2D6 | |
| SCHEMBL6073720 | 0.86 | TACR1 (0.61) | TACR1CYP2D6 | |
| SCHEMBL6073522 | 0.86 | TACR1 (0.61) | TACR1CYP2D6 | |
| SCHEMBL7118326 | 0.86 | TACR1 (0.61) | TACR1CYP2D6 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0840732-B1 | SUBSTITUTED BENZOLACTAM COMPOUNDS AS SUBSTANCE P ANTAGONISTS | PFIZER (US) | 2001-03-07 | — | — | EP | claimed |